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80944-48-5 | 4-Pyridinecarboxamide,2-propyl-
CAS No: 80944-48-5 Catalog No: AG005HVA MDL No:
Product Description
Catalog Number:
AG005HVA
Chemical Name:
4-Pyridinecarboxamide,2-propyl-
CAS Number:
80944-48-5
Molecular Formula:
C9H12N2O
Molecular Weight:
164.2044
IUPAC Name:
2-propylpyridine-4-carboxamide
InChI:
InChI=1S/C9H12N2O/c1-2-3-8-6-7(9(10)12)4-5-11-8/h4-6H,2-3H2,1H3,(H2,10,12)
InChI Key:
OGXRHACCPMCVIC-UHFFFAOYSA-N
SMILES:
CCCc1cc(ccn1)C(=O)N
EC Number:
279-634-7
UNII:
HE0P025KOZ
Properties
Complexity:
159
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
164.095g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
164.208g/mol
Monoisotopic Mass:
164.095g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
56A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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